(E)-2-(2-amino-2-carboxyethoxy)-2-hydroxyethenediazonium
Formula:C5H8N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2-amino-2-carboxyethoxy)-2-hydroxyethenediazonium is a drug-like molecule.
| MolName | (E)-2-(2-amino-2-carboxyethoxy)-2-hydroxyethenediazonium |
| MolecularFormula | C5H8N3O4 |
| Smiles | NC(CO/C(/O)=C/[N+]#N)C(O)=O |
| InChI | InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H-,9,10,11)/p+1/t3-/m0/s1 |
| InChIK | AGNGYMCLFWQVGX-VKHMYHEASA-O |
| TotalMolweight | 174.136 |
| Molweight | 174.136 |
| MonoisotopicMass | 174.051482 |
| CLogP | -4.1727 |
| CLogS | -1.593 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 138.01 |
| Relative PSA | 0.69437 |
| PolarSurfaceArea | 120.93 |
| Druglikeness | -8.8129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Sp3Atoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (E)-2-(2-amino-2-carboxyethoxy)-2-hydroxyethenediazonium | 2 - (E)-2-(2-amino-2-carboxyethoxy)-2-hydroxyethenediazonium
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